SCHEMBL9385136

SCHEMBL9385136

CC1(C)CC(=O)C2=C(N1)c1[nH]c(-c3ccc(CO)cc3)nc1CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ WNT3A P56704 4/20 0.32
▸ TNKS2 Q9H2K2 4/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ CSF1R P07333 2/20 0.30
▸ EGFR P00533 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL9380207 0.88 TNKS2 (0.36) PARP1WNT3ATNKS2TNKS
SCHEMBL9378641 0.86 TNKS2 (0.42) PARP1WNT3ATNKS2TNKS
SCHEMBL9379011 0.86 TNKS2 (0.36) PARP1WNT3ATNKS2TNKS
SCHEMBL9378262 0.85 KMT2A (0.38) PARP1TNKS2TNKS
SCHEMBL9379363 0.84 IDO1 (0.39) —
SCHEMBL9379944 0.84 ADORA2B (0.38) WNT3ATNKS2
SCHEMBL9377862 0.84 CHEK2 (0.38) WNT3ATNKS2TGFBR1
SCHEMBL9378535 0.83 IDO1 (0.45) PARP1TNKS2TNKS
SCHEMBL9382402 0.81 PTGER3 (0.39) WNT3ATNKS2
SCHEMBL9382394 0.81 WNT3A (0.36) WNT3ATNKS2

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
EP-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 — — EP disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 — — EP disclosed
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