SCHEMBL14451986

SCHEMBL14451986

COc1c(C(=O)N(C)CCN2CCCC2)cn2ncnc(Nc3ccc(F)cc3Br)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ MAPK14 Q16539 6/20 0.38
▸ SMYD2 Q9NRG4 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 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
SCHEMBL4216555 0.89 KDR (0.42) KDRFLT1FLT4MAPK14CSF1R
SCHEMBL4050287 0.76 MAPK14 (0.48) KDRFLT1FLT4MAPK14
SCHEMBL1460896 0.72 EGFR (0.46) KDR
SCHEMBL4048475 0.67 EGFR (0.56) KDRFLT1FLT4MAPK14
SCHEMBL4219191 0.67 KDR (0.48) KDRFLT1FLT4MAPK14
SCHEMBL16854022 0.64 MKNK2 (0.54) KDRFLT1MKNK1MKNK2
SCHEMBL4052170 0.61 EGFR (0.41) KDRFLT1FLT4MAPK14
SCHEMBL5740699 0.61 EGFR (0.46) KDRFLT1FLT4MAPK14
SCHEMBL4049767 0.61 KDR (0.62) KDRMAPK14
SCHEMBL4108838 0.60 MAPK14 (0.86) MAPK14

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-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
Send feedback