SCHEMBL9378641

SCHEMBL9378641

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 6/20 0.42
▸ WNT3A P56704 2/20 0.42
▸ MAPK1 P28482 1/20 0.38
▸ TNKS O95271 4/20 0.36
▸ PARP2 Q9UGN5 3/20 0.36
▸ GUSB P08236 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ GCGR P47871 3/20 0.34
▸ MAPK13 O15264 3/20 0.34
▸ MAPK12 P53778 3/20 0.34
▸ MAPK11 Q15759 3/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.89 TNKS2 (0.36) TNKS2WNT3ATNKSGUSBMGAM
SCHEMBL9379011 0.89 TNKS2 (0.36) TNKS2WNT3AMAPK1TNKSGCGR
SCHEMBL9378262 0.88 KMT2A (0.38) TNKS2TNKSGAAPARP1MEN1
SCHEMBL9379363 0.87 IDO1 (0.39) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL9385136 0.86 BRAF (0.35) TNKS2WNT3ATNKSPARP1
SCHEMBL9378535 0.86 IDO1 (0.45) TNKS2MAPK1TNKSPARP2GUSB
SCHEMBL9379944 0.85 ADORA2B (0.38) TNKS2WNT3AMEN1ALDH1A1HPGD
SCHEMBL9377862 0.85 CHEK2 (0.38) TNKS2WNT3AMAPK14
SCHEMBL9383627 0.84 NPBWR1 (0.40) TNKS2TNKSPARP1MEN1ALDH1A1
SCHEMBL9382402 0.84 PTGER3 (0.39) TNKS2WNT3AMAPK14ALDH1A1HPGD

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
EP-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 — — EP disclosed
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