SCHEMBL7965121

SCHEMBL7965121

Fc1cc2c(Nc3ccccc3C(F)(F)F)ncnc2cn1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.65
CD38 P28907 1/20 0.48
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
EPHX2 P34913 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PTK2 Q05397 1/20 0.43
RET P07949 1/20 0.42

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
SCHEMBL13151521 0.82 RET (0.60) EGFRCD38FLT1KDRPTK2
SCHEMBL17967501 0.81 EGFR (0.68) EGFRFLT1KDREPHX2RET
SCHEMBL6837745 0.79 EGFR (1.00) EGFR
SCHEMBL868674 0.79 EGFR (0.59) EGFRCD38KDRRET
SCHEMBL7981320 0.78 EGFR (0.73) EGFRCD38KDRCYP1A2CYP3A4
SCHEMBL5864606 0.78 EGFR (1.00) EGFRFLT1KDRRET
SCHEMBL30140108 0.77 EGFR (0.65) EGFRFLT1KDR
SCHEMBL7965118 0.76 EGFR (0.73) EGFRCD38KDRTSHR
SCHEMBL17967497 0.73 EGFR (0.74) EGFRFLT1KDRRET
SCHEMBL18354383 0.72 EGFR (0.65) EGFRCD38USP2CYP1A2CYP3A4

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
US-6313292-B1 REACTION FROM 5-AMINO-2-FLUOROPYRIDINE; AMINATION, CYCLIZATION, CHLORINATION, SALT FORMATION, DECHLORINATION, DEBLOCKING WARNER-LAMBERT COMPANY 2001-11-06 US disclosed
WO-1997026259-A1 IMPROVED PROCESS FOR PREPARING 4,6-DISUBSTITUTED PYRIDO[3,4-d]PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed