SCHEMBL29431058

SCHEMBL29431058

CN1CC=C(c2cc3c(Cl)ccnc3[nH]2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.59
▸ CCNT1 O60563 18/20 0.59
▸ CDC7 O00311 1/20 0.48
▸ PIM1 P11309 1/20 0.48

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
SCHEMBL14500648 0.83 CCNT1 (0.51) CDK9CCNT1
SCHEMBL17534989 0.82 CCNT1 (0.76) CDK9CCNT1
SCHEMBL15586779 0.82 CCNT1 (0.52) CDK9CCNT1
SCHEMBL5663907 0.81 CCNT1 (0.53) CDK9CCNT1
SCHEMBL14500649 0.80 CCNT1 (0.67) CDK9CCNT1
SCHEMBL17906588 0.79 CCNT1 (0.49) CDK9CCNT1
SCHEMBL16546258 0.79 CDK9 (0.48) CDK9CCNT1CDC7PIM1
SCHEMBL2085336 0.78 CDK9 (0.47) CDK9CCNT1CDC7PIM1
SCHEMBL5661424 0.78 CCNT1 (0.65) CDK9CCNT1
SCHEMBL5665564 0.78 CDK9 (0.66) CDK9CCNT1

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
WO-2022051568-A1 SUBSTITUTED 4-PIPERIDINYL-PYRROLO[2,3-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 — — WO disclosed
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