SCHEMBL16514587

SCHEMBL16514587

CN1CCN(c2cc(F)c(Nc3ncc4cccc(-c5cccc(C=CC(N)=O)c5)c4n3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.55
KDR P35968 3/20 0.55
EGFR P00533 3/20 0.55
FGFR2 P21802 3/20 0.48
PIM2 Q9P1W9 2/20 0.46
JAK3 P52333 2/20 0.45
BRD4 O60885 4/20 0.44
JAK2 O60674 3/20 0.44
FLT3 P36888 1/20 0.40
BTK Q06187 1/20 0.40
GAA P10253 1/20 0.40
TTK P33981 2/20 0.39
JAK1 P23458 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL16514436 0.91 EGFR (0.62) FGFR1KDREGFRFGFR2PIM2
Maleic Acid SCHEMBL16514328 0.88 FGFR1 (0.56) FGFR1KDREGFRFGFR2PIM2
Fumaric Acid SCHEMBL16514259 0.88 FGFR1 (0.56) FGFR1KDREGFRFGFR2PIM2
SCHEMBL16513994 0.85 EGFR (0.63) FGFR1KDREGFRFGFR2PIM2
SCHEMBL16513747 0.84 EGFR (0.61) FGFR1KDREGFRFGFR2PIM2
SCHEMBL16514550 0.84 EGFR (0.61) FGFR1KDREGFRJAK3BRD4
SCHEMBL16514319 0.83 FGFR1 (0.49) FGFR1KDREGFRFGFR2PIM2
SCHEMBL16513934 0.82 FGFR1 (0.81) FGFR1KDREGFRFGFR2JAK3
SCHEMBL29848029 0.82 FGFR1 (0.81) FGFR1KDREGFRFGFR2JAK3
SCHEMBL18527557 0.81 FGFR1 (0.63) FGFR1KDREGFRFGFR2PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035936-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NeuPharma, Inc. (US) 2016-06-29 EP disclosed
WO-2015027222-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2015-02-26 WO disclosed