SCHEMBL29845323

SCHEMBL29845323

c1cc(C2CCNCC2)c2nc(C3CCOCC3)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.40
▸ CCNT1 O60563 4/20 0.40
▸ PARP1 P09874 4/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAPK13 O15264 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PBK Q96KB5 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL29845331 1.00 CDK9 (0.40) CDK9CCNT1PARP1CDC7PIM1
SCHEMBL24683415 1.00 CDK9 (0.40) CDK9CCNT1PARP1CDC7PIM1
Hydrochloric Acid SCHEMBL30769827 0.99 CDK9 (0.40) CDK9CCNT1PARP1CDC7PIM1
Hydrochloric Acid SCHEMBL27147682 0.99 CDK9 (0.40) CDK9CCNT1PARP1CDC7PIM1
Hydrochloric Acid SCHEMBL27035376 0.99 CDK9 (0.40) CDK9CCNT1PARP1CDC7PIM1
SCHEMBL30769686 0.95 PARP1 (0.42) CDK9CCNT1PARP1CDC7PIM1
SCHEMBL27035418 0.95 CDK9 (0.38) CDK9CCNT1PARP1CDC7PIM1
SCHEMBL27059762 0.95 PARP1 (0.42) CDK9CCNT1PARP1CDC7PIM1
Hydrochloric Acid SCHEMBL30769944 0.94 CDK9 (0.38) CDK9CCNT1PARP1CDC7PIM1
Hydrochloric Acid SCHEMBL30769956 0.94 CDK9 (0.38) CDK9CCNT1PARP1CDC7PIM1

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-2022187518-A1 SUBSTITUTED 4-PIPERIDINYL-IMIDAZO[4,5-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 — — WO disclosed
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