SCHEMBL7989444

SCHEMBL7989444

COc1ccc2c(ncn2-c2ccccc2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.72
FGFR1 P11362 9/20 0.56
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
KDR P35968 1/20 0.47
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 1/20 0.43
SLC2A3 P11169 1/20 0.43

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
Hydrochloric Acid SCHEMBL7975827 0.98 SRC (0.70) SRCFGFR1HTTALDH1A1HPGD
SCHEMBL7975839 0.84 SRC (0.66) SRCFGFR1HTTALDH1A1HPGD
SCHEMBL7975887 0.84 SRC (1.00) SRCFGFR1HTTALDH1A1HPGD
SCHEMBL7975806 0.83 SRC (0.68) SRCFGFR1HTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7989583 0.82 SRC (0.97) SRCFGFR1HTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7975678 0.82 SRC (0.64) SRCFGFR1HTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7986280 0.81 SRC (0.67) SRCFGFR1HTTALDH1A1HPGD
SCHEMBL31294905 0.72 FGFR1 (1.00) SRCFGFR1HTTALDH1A1HPGD
SCHEMBL7986240 0.72 FGFR1 (0.81) SRCFGFR1HTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7993437 0.71 FGFR1 (0.97) SRCFGFR1HTTALDH1A1HPGD

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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US disclosed