SCHEMBL13994208

SCHEMBL13994208

CC(C)N1CCN(CC(=O)N2CC=C(c3cc4c(Nc5ccc6ncsc6c5)ncnc4[nH]3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.38
▸ CDK9 P50750 16/20 0.38
▸ KIT P10721 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL5010058 0.93 CCNT1 (0.42) CCNT1CDK9BTKEGFRSYK
SCHEMBL5001673 0.92 NAMPT (0.42) CCNT1CDK9KITBTKEGFR
SCHEMBL5004837 0.91 CCNT1 (0.40) CCNT1CDK9KITEGFR
SCHEMBL5010289 0.91 CCNT1 (0.41) CCNT1CDK9KITEGFR
SCHEMBL5004741 0.91 CCNT1 (0.41) CCNT1CDK9KITEGFR
SCHEMBL5008417 0.90 KCNH2 (0.42) CCNT1CDK9BTKSYK
SCHEMBL5005376 0.90 CCNT1 (0.41) CCNT1CDK9BTK
SCHEMBL5001665 0.89 KIT (0.45) CCNT1CDK9KITBTKEGFR
SCHEMBL5004828 0.89 CCNT1 (0.37) CCNT1CDK9BTKEGFRSYK
SCHEMBL13994195 0.89 CCNT1 (0.45) CCNT1CDK9

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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