SCHEMBL20934814

SCHEMBL20934814

COc1ccc(CNc2nc(Br)cn3c(C)cnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
CDK1 P06493 2/20 0.43
MAPT P10636 5/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
THRB P10828 3/20 0.41
EGFR P00533 1/20 0.41
POLB P06746 1/20 0.41
NR2F2 P24468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL20919599 0.90 CDK1 (0.47) CCNE2CCNE1CDK2TDP1CDK1
SCHEMBL19747594 0.76 MAPT (0.47) CCNE2CCNE1CDK2TDP1MAPT
SCHEMBL19747188 0.74 CCNE2 (0.47) CCNE2CCNE1CDK2TDP1CDK1
SCHEMBL3953843 0.74 APP (0.51) CCNE2CCNE1CDK2MAPTGAA
SCHEMBL21256170 0.73 TP53 (0.41) CCNE2CCNE1CDK2CDK1MAPT
SCHEMBL26629826 0.73 MAPK8 (0.46) CDK2TDP1CDK1MAPTNPC1
SCHEMBL27466106 0.73 MAPT (0.52) CDK1MAPTGAAMEN1NPC1
SCHEMBL14432369 0.72 IKBKB (0.41)
SCHEMBL1674072 0.71 ZAP70 (0.46) CCNE2CCNE1CDK2TDP1CDK1
SCHEMBL27179661 0.70 IKBKB (0.36) CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006034-A1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2022-06-01 EP disclosed
EP-3697789-B1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2021-09-29 EP disclosed
WO-2019079469-A1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2019-04-25 WO disclosed