SCHEMBL9864937

SCHEMBL9864937

CSc1nc2cccccc-2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.48
HSP90AB1 P08238 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
DCUN1D1 Q96GG9 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13133556 0.81 MAPT (0.58) HSP90AA1HSP90AB1LMNAKDM4EHTT
SCHEMBL9864818 0.77 LMNA (0.46) HSP90AB1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL7526568 0.75 ALDH1A1 (0.56) HSP90AA1HSP90AB1LMNAKDM4EHTT
SCHEMBL5361682 0.75 KDM4E (0.55) HSP90AA1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL14267870 0.74 ADORA2A (0.59) HSP90AA1HSP90AB1LMNAKDM4ENPSR1
SCHEMBL7525473 0.74 MAPT (0.51) HSP90AA1HSP90AB1LMNAKDM4EHTT
SCHEMBL5593348 0.74 MAPT (0.51) HSP90AA1HSP90AB1LMNAKDM4ESMN1; SMN2
SCHEMBL1445103 0.74 MAPT (0.51) HSP90AA1HSP90AB1LMNAKDM4EHTT
SCHEMBL29502715 0.74 ADORA2A (0.59) HSP90AA1HSP90AB1LMNAKDM4ENPSR1
SCHEMBL7521036 0.74 KDM4E (0.56) HSP90AA1HSP90AB1LMNAKDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
US-5003077-A Having a cycloheptimidazole nucleus; photostability; methine bond having an auxochrome FUJI PHOTO FILM CO., LTD. (JP) 1991-03-26 US disclosed
US-4900648-A RECORDING, ERASING USING LASER BEAM, METHINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1990-02-13 US disclosed
US-4814265-A CONTAINING METHANE DYE FUJI PHOTO FILM CO., LTD. (JP) 1989-03-21 US disclosed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP disclosed