SCHEMBL3384952

SCHEMBL3384952

Cc1cn(-c2cc(C(=O)Nc3ccc(-c4ccc5c(C(=O)O)n[nH]c5c4)cc3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 9/20 0.56
RAF1 P04049 3/20 0.56
BRAF P15056 3/20 0.56
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
CSF1R P07333 1/20 0.53
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
LDLR P01130 1/20 0.48
KIT P10721 1/20 0.48
PCSK9 Q8NBP7 1/20 0.48
MEN1 O00255 1/20 0.47
OPRK1 P41145 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHB4 P54760 1/20 0.46

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
SCHEMBL3387073 0.93 RAF1 (0.56) NR2E1RAF1BRAFABL1BCR
SCHEMBL3386597 0.90 BRAF (0.53) NR2E1RAF1BRAFABL1BCR
SCHEMBL3387255 0.85 CSF1R (0.54) NR2E1RAF1BRAFABL1BCR
SCHEMBL3387502 0.81 RAF1 (0.55) NR2E1RAF1BRAFABL1BCR
SCHEMBL3383253 0.79 NTRK1 (0.59) CSF1RMAPTKDM4EPOLBKIT
SCHEMBL12292400 0.77 NR2E1 (0.63) NR2E1RAF1BRAFABL1BCR
SCHEMBL15381989 0.77 CSF1R (0.71) NR2E1RAF1BRAFABL1BCR
SCHEMBL3383196 0.76 RAF1 (0.54) NR2E1RAF1BRAFABL1BCR
SCHEMBL1420281 0.75 NR2E1 (0.74) NR2E1RAF1BRAFABL1BCR
SCHEMBL3386584 0.75 KDR (0.63) CSF1RKITEPHB4

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
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed