SCHEMBL18633604

SCHEMBL18633604

Cc1ccc(NC(=O)C2CC2)cc1/C=C/c1csc2c(NC3CC=C(N4CCOCC4)CC3)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.41
ABL1 P00519 4/20 0.39
SRC P12931 3/20 0.39
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.35
ERBB2 P04626 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL18633730 0.86 BRAF (0.46) ABL1SRCMAPK14BRAF
SCHEMBL2234459 0.84 GBA1 (0.47) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2234464 0.84 GBA1 (0.47) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2233369 0.84 ABL1 (0.45) GBA1MAPTABL1SRC
SCHEMBL2233380 0.84 ABL1 (0.45) GBA1MAPTABL1SRC
SCHEMBL14057434 0.75 BRD4 (0.44) GBA1MAPTMAPK14BRAF
SCHEMBL2235668 0.75 BRD4 (0.44) GBA1MAPTMAPK14BRAF
SCHEMBL2232164 0.72 APP (0.40) MAPTERBB2BRAF
SCHEMBL2232159 0.72 APP (0.40) MAPTERBB2BRAF
SCHEMBL2233664 0.72 ABL1 (0.48) ALDH1A1HPGDKDM4EMAPTABL1

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-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed