SCHEMBL13994128

SCHEMBL13994128

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.51
▸ CDK9 P50750 6/20 0.51
▸ KIT P10721 2/20 0.47
▸ MKNK1 Q9BUB5 4/20 0.47
▸ EGFR P00533 2/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 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
SCHEMBL13994074 0.94 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994108 0.92 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994061 0.92 CCNT1 (0.55) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5010250 0.91 KIT (0.53) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5008291 0.90 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994066 0.88 CCNT1 (0.49) CCNT1CDK9KITMKNK1EGFR
SCHEMBL14500344 0.87 CCNT1 (0.58) CCNT1CDK9TBK1
SCHEMBL13994075 0.87 CCNT1 (0.49) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994143 0.86 CCNT1 (0.49) CCNT1CDK9KITMKNK1EGFR
SCHEMBL5008380 0.86 CCNT1 (0.53) CCNT1CDK9KITMKNK1TBK1

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