SCHEMBL18833148

SCHEMBL18833148

C=C(Nc1c[nH]nc1-c1nc2cc(F)c(N3CCN(C)CC3)cc2[nH]1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.42
FGFR2 P21802 3/20 0.42
FGFR3 P22607 3/20 0.42
KDR P35968 2/20 0.42
OPRL1 P41146 2/20 0.37
FLT1 P17948 1/20 0.35
SRPK1 Q96SB4 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
EGLN1 Q9GZT9 1/20 0.33
LMNA P02545 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CDK2 P24941 2/20 0.33
PRKCZ Q05513 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TOP1 P11387 2/20 0.32
TOP2A P11388 2/20 0.32

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
SCHEMBL3932241 0.90 FGFR1 (0.42) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL3934348 0.88 FGFR1 (0.40) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL13374049 0.86 AMY1A (0.33) FGFR1FGFR2FGFR3KDRFLT1
Trifluoroacetic Acid SCHEMBL4127209 0.86 FGFR1 (0.39) FGFR1FGFR2FGFR3KDROPRL1
Trifluoroacetic Acid SCHEMBL4133711 0.84 FGFR1 (0.38) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL18833114 0.84 FGFR1 (0.48) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL4295308 0.83 FGFR1 (0.42) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL3926103 0.81 OPRL1 (0.42) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL4129282 0.81 FGFR1 (0.43) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL4130323 0.81 FGFR1 (0.41) FGFR1FGFR2FGFR3KDREGLN1

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-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed