SCHEMBL11213596

SCHEMBL11213596

COc1cc2nc(N3CCN(c4nc5ccc(Cl)ccc-5n4)CC3)nc(N)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
KDM4E B2RXH2 1/20 0.65
APAF1 O14727 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
UBE2N P61088 1/20 0.65
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
Hydrochloric Acid SCHEMBL11211033 0.99 POLB (0.63) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL11207994 0.88 ADRA1A (0.68) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL31187488 0.87 KDM4E (0.82) POLBKDM4EAPAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11215640 0.87 ADRA1A (0.67) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL11212698 0.86 POLB (0.62) POLBKDM4EAPAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29393496 0.86 POLB (0.80) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL11211903 0.84 KDM4E (0.60) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL4230044 0.84 ADRA1A (0.67) KDM4EALDH1A1MAPTHPGDADRA1A
SCHEMBL4370212 0.84 KDM4E (0.56) POLBKDM4EAPAF1ALDH1A1MAPT
SCHEMBL14877525 0.83 KDM4E (0.76) POLBKDM4EAPAF1ALDH1A1MAPT

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
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US claimed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP claimed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO claimed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP claimed
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