SCHEMBL18376788

SCHEMBL18376788

COc1ccc(-c2cccc3cnc(Nc4cccc(N5CCN(CCO)CC5)c4)nc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 3/20 0.58
▸ FGFR1 P11362 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ JAK2 O60674 5/20 0.53
▸ PTK2 Q05397 3/20 0.53
▸ JAK3 P52333 2/20 0.53
▸ EGFR P00533 2/20 0.49
▸ TTK P33981 3/20 0.49
▸ JAK1 P23458 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ RIPK2 O43353 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ SRC P12931 1/20 0.44

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
SCHEMBL29370825 0.93 FGFR2 (0.51) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL18376603 0.93 FGFR2 (0.51) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL18377065 0.91 PTK2 (0.55) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL29368482 0.91 PTK2 (0.55) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL18376246 0.90 JAK2 (0.56) FGFR1KDRJAK2PTK2JAK3
SCHEMBL29371334 0.90 JAK2 (0.56) FGFR1KDRJAK2PTK2JAK3
SCHEMBL18376604 0.90 FGFR2 (0.48) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL29370862 0.90 FGFR2 (0.48) FGFR2FGFR1KDRJAK2PTK2
SCHEMBL18376662 0.89 TTK (0.51) FGFR2FGFR1KDRJAK2JAK3
SCHEMBL18376597 0.89 TTK (0.50) FGFR2FGFR1KDRJAK2PTK2

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
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 — — WO disclosed
Send feedback