SCHEMBL8499222

SCHEMBL8499222

Cc1cc2ncc(-c3ccc(F)cc3)nc2cc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
PDGFRB P09619 2/20 0.70
FLT3 P36888 2/20 0.70
KDR P35968 1/20 0.70
MAPK14 Q16539 3/20 0.53
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PDGFRA P16234 1/20 0.45
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 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
SCHEMBL28142543 0.86 MAPK1 (0.54) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL30846532 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL29184272 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL7694544 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
Ag1295 SCHEMBL925674 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL8499328 0.82 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL15850501 0.80 TLR9 (0.53) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL30107647 0.80 TLR9 (0.53) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL28165527 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PDGFRBFLT3
SCHEMBL8503044 0.80 MAPT (0.52) NPC1RAB9ASMN1; SMN2PDGFRBFLT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US claimed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US claimed