SCHEMBL13994223

SCHEMBL13994223

O=C(CN1CCC(O)CC1)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.46
▸ CDK9 P50750 19/20 0.46
▸ BTK Q06187 1/20 0.38

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
SCHEMBL5004997 0.96 CCNT1 (0.51) CCNT1CDK9
SCHEMBL5001500 0.94 CCNT1 (0.49) CCNT1CDK9
SCHEMBL5005884 0.93 CCNT1 (0.42) CCNT1CDK9BTK
SCHEMBL5004837 0.93 CCNT1 (0.40) CCNT1CDK9
SCHEMBL5010289 0.92 CCNT1 (0.41) CCNT1CDK9
SCHEMBL5004741 0.92 CCNT1 (0.41) CCNT1CDK9
SCHEMBL5001673 0.91 NAMPT (0.42) CCNT1CDK9BTK
SCHEMBL5001665 0.91 KIT (0.45) CCNT1CDK9BTK
SCHEMBL5010222 0.90 CCNT1 (0.44) CCNT1CDK9BTK
SCHEMBL5004902 0.90 CCNT1 (0.40) CCNT1CDK9BTK

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
Send feedback