SCHEMBL28195437

SCHEMBL28195437

Fc1cccc(Cc2ccc3[nH]cnc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 1/20 0.46
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL28195435 0.88 QPCTL (0.55) QPCTLCDC7DBF4AURKADAPK3
SCHEMBL11080273 0.78 HRH4 (0.49) QPCTLCYP3A4CYP11B1CYP11B2NTRK1
SCHEMBL903276 0.76 PARP1 (0.52) MAPTCYP3A4
SCHEMBL30848255 0.75 PDE10A (0.48) QPCTLNTRK1
SCHEMBL29172092 0.75 PDE10A (0.48) QPCTLNTRK1
SCHEMBL17137751 0.75 MAOB (0.50) QPCTLMAOB
SCHEMBL3300303 0.74 TAAR1 (0.60) DAOHCAR2TAAR1MAOBCYP17A1
SCHEMBL30579943 0.73 BRAF (0.47) ABL1
SCHEMBL13137082 0.73 NOS1 (0.49) QPCTLAURKADAPK3JAK2PRKD3
SCHEMBL28127445 0.72 QPCT (0.40) QPCTLMAPT

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
CN-107635558-A Bu Luomo domain inhibitor 赛尔基因昆蒂赛尔研究公司 2018-01-26 CN disclosed