SCHEMBL5731659

SCHEMBL5731659

Clc1nc(N2CCNCC2)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.62
▸ PRKCI P41743 9/20 0.46
▸ TOP1 P11387 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ PRKCZ Q05513 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5731318 0.90 HTR2C (0.60) HTR2CPRKCITOP1TOP2AKMT2A
SCHEMBL5730721 0.90 PRKCI (0.56) HTR2CPRKCITOP1TOP2APRKCZ
SCHEMBL5732076 0.86 PRKCI (0.58) HTR2CPRKCIPRKCZMAPT
SCHEMBL5732255 0.82 PRKCI (0.44) HTR2CPRKCIPRKCZKMT2AATM
SCHEMBL1321336 0.80 HTR2C (0.55) HTR2CPRKCIPRKCZ
SCHEMBL5731146 0.79 PRKCI (0.52) HTR2CPRKCIPRKCZKMT2AMAPT
SCHEMBL2614868 0.76 PRKCI (0.54) HTR2CPRKCIPRKCZKMT2AMEN1
SCHEMBL2614862 0.76 PRKCI (0.54) HTR2CPRKCIPRKCZKMT2AATM
SCHEMBL5730181 0.76 PRKCI (0.54) HTR2CPRKCIKMT2AMAPTTDP1
SCHEMBL1321338 0.75 PRKCI (0.51) HTR2CPRKCIPRKCZKMT2AMEN1

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-1619196-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and Pyrido[3',2':4,5]furo[3,2-d]-pyrimidines for use as inhibitors of PDA-4 and/or TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 — — EP disclosed
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