SCHEMBL30968993

SCHEMBL30968993

COc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.53
CSF1R P07333 2/20 0.52
ERBB2 P04626 7/20 0.49
KDR P35968 2/20 0.49
AURKA O14965 1/20 0.49
INSR P06213 1/20 0.49
FBP1 P09467 1/20 0.49
PDGFRB P09619 1/20 0.49
FLT4 P35916 1/20 0.49
CLK1 P49759 1/20 0.49
EPHB4 P54760 1/20 0.49
TEK Q02763 1/20 0.49
AURKB Q96GD4 1/20 0.49
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL30602465 0.84 EGFR (0.51) EGFRCSF1RERBB2KDRAURKA
SCHEMBL28820802 0.84 EGFR (0.50) EGFRCSF1RERBB2KDRAURKA
SCHEMBL29881841 0.84 EGFR (0.50) EGFRCSF1RERBB2KDRAURKA
SCHEMBL29365103 0.82 MAPK1 (0.52) EGFRCSF1RERBB2KDRAURKA
SCHEMBL2205050 0.80 KDM4E (0.52) EGFRCSF1RERBB2KDRPDGFRB
SCHEMBL3706832 0.80 EGFR (0.47) EGFRCSF1RERBB2KDRAURKA
SCHEMBL7524075 0.80 ABCG2 (0.54) EGFRERBB2KDRFBP1HDAC3
Hydrochloric Acid SCHEMBL8620019 0.79 PTK2 (0.46) EGFRCSF1RKDRAURKAEPHB4
SCHEMBL28377097 0.79 EGFR (0.49) EGFRCSF1RERBB2KDRAURKA
SCHEMBL2510675 0.78 EGFR (0.52) EGFRCSF1RERBB2KDRAURKA

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
CN-118063399-A Method for synthesizing N- (3-chloro-4-fluorophenyl) -6-hydroxy-7-methoxy-4-quinazolinamine 杭州微流汇科技有限公司 2024-05-24 CN disclosed