SCHEMBL4753632

SCHEMBL4753632

CSc1cccc(C(=O)O)c1-c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4753607 0.81 DHFR (0.45) DHFRKDM4ELMNAMAPTPKM
SCHEMBL4756382 0.76 DHFR (0.52) DHFR
SCHEMBL4756475 0.74 DHFR (0.49) DHFR
SCHEMBL4755674 0.74 DHFR (0.45) DHFRKDM4EMAPTMAPK1
SCHEMBL4753605 0.74 MAPT (0.44) KDM4ELMNAMAPTPKMMAPK1
SCHEMBL4754987 0.72 SQSTM1 (0.45) DHFR
SCHEMBL12006045 0.72 POLB (0.50) POLBKDM4ELMNAMAPTKMT2A
SCHEMBL4755527 0.70 F2R (0.43) DHFRMCL1
SCHEMBL4756452 0.70 SQSTM1 (0.48) DHFR
SCHEMBL4753525 0.69 DHFR (0.46) DHFRKDM4EKMT2A

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed