SCHEMBL26868079

SCHEMBL26868079

CNc1cc(C(C)(C2CC2)C2CC2)nc2c(C)cnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.31
▸ CCR6 P51684 1/20 0.31

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
SCHEMBL26868111 0.81 PIM1 (0.36) TYK2KDM4ENPC1RAB9AMAPT
SCHEMBL26869154 0.77 KDM4E (0.34) TYK2PDE4DKDM4ENPC1RAB9A
SCHEMBL26872817 0.76 RAB9A (0.46) KDM4ENPC1RAB9AMAPTATM
SCHEMBL26875254 0.74 CDK2 (0.37) TYK2PDE4DKDM4ENPC1RAB9A
SCHEMBL26253982 0.74 TYK2 (0.45) TYK2KDM4ENPC1RAB9AMAPT
SCHEMBL26869324 0.72 TYK2 (0.36) TYK2PDE4DKDM4ENPC1RAB9A
SCHEMBL23772369 0.71 CDK2 (0.46) TYK2PDE4DKDM4ERAB9AMAPT
SCHEMBL26868144 0.71 CCNT1 (0.39) TYK2PDE4DKDM4EHTTCDK2
SCHEMBL26873337 0.71 CDK2 (0.39) TYK2PDE4DKDM4ENPC1RAB9A
SCHEMBL26871074 0.70 KDM4E (0.35) KDM4ERAB9AMAPTHTTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
Send feedback