SCHEMBL13994152

SCHEMBL13994152

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc5[nH]ccc45)ncnc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.52
▸ CCNT1 O60563 5/20 0.52
▸ JAK1 P23458 1/20 0.46
▸ KIT P10721 2/20 0.45
▸ TBK1 Q9UHD2 1/20 0.45
▸ BTK Q06187 6/20 0.44
▸ RET P07949 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 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
SCHEMBL5010135 0.89 CCNT1 (0.53) CDK9CCNT1JAK1KITTBK1
SCHEMBL14500417 0.89 CDK9 (0.59) CDK9CCNT1JAK1TBK1
SCHEMBL5008424 0.88 BTK (0.43) CDK9CCNT1BTKRET
SCHEMBL5001675 0.85 CCNT1 (0.49) CDK9CCNT1JAK1KITTBK1
SCHEMBL13994061 0.84 CCNT1 (0.55) CDK9CCNT1KITTBK1GRM5
SCHEMBL5008291 0.83 CCNT1 (0.51) CDK9CCNT1KITTBK1BTK
SCHEMBL5008373 0.82 CCNT1 (0.48) CDK9CCNT1JAK1KITTBK1
SCHEMBL5010250 0.82 KIT (0.53) CDK9CCNT1JAK1KITTBK1
SCHEMBL13994074 0.82 CCNT1 (0.51) CDK9CCNT1KITTBK1BTK
SCHEMBL13994128 0.82 CCNT1 (0.51) CDK9CCNT1KITTBK1BTK

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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