SCHEMBL7982509

SCHEMBL7982509

O=C(Nc1oc(-c2cc3ccccc3nc2Cl)nc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMO Q99835 1/20 0.38
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL14040936 0.84 KDR (0.73) KDRFLT1FLT4TP53MAPT
SCHEMBL14148552 0.82 KDR (0.49) KDRFLT1FLT4TP53MAPT
SCHEMBL7982226 0.81 KDR (0.49) KDRFLT1FLT4MAPTMEN1
SCHEMBL14148538 0.81 TP53 (0.57) KDRFLT1FLT4TP53MAPT
SCHEMBL14148572 0.81 TP53 (0.47) KDRFLT1FLT4TP53MAPT
SCHEMBL14148571 0.79 KDR (0.62) KDRFLT1FLT4TP53MAPT
SCHEMBL14148536 0.78 KDR (0.49) KDRFLT1FLT4TP53MAPT
SCHEMBL14148568 0.75 TP53 (0.54) KDRFLT1FLT4TP53MAPT
SCHEMBL14148527 0.75 TP53 (0.46) KDRFLT1FLT4TP53MAPT
SCHEMBL14148561 0.75 TP53 (0.50) KDRFLT1FLT4TP53MAPT

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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed