SCHEMBL13994530

SCHEMBL13994530

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-c5nc6ccccc6[nH]5)c4)ncnc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MET P08581 4/20 0.43
▸ KDR P35968 4/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ MKNK1 Q9BUB5 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL5008183 0.89 MET (0.45) KDM4EMETKDRTP53MAPT
SCHEMBL5010250 0.89 KIT (0.53) KITCCNT1CDK9TBK1MKNK1
SCHEMBL5002057 0.88 CCNT1 (0.49) KITCCNT1CDK9TBK1MKNK1
SCHEMBL13994079 0.86 CDK9 (0.47) KITCCNT1CDK9TBK1MKNK1
SCHEMBL13994061 0.86 CCNT1 (0.55) KITCCNT1CDK9TBK1MKNK1
SCHEMBL13994075 0.86 CCNT1 (0.49) KITCCNT1CDK9TBK1MKNK1
SCHEMBL5008373 0.85 CCNT1 (0.48) KITCCNT1CDK9TBK1MKNK1
SCHEMBL5005389 0.84 CCNT1 (0.48) KITCCNT1CDK9TBK1MKNK1
SCHEMBL13994080 0.84 CCNT1 (0.49) KITCCNT1CDK9TBK1MKNK1
SCHEMBL13994139 0.84 CCNT1 (0.48) KITCCNT1CDK9TBK1MKNK1

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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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