SCHEMBL4849666

SCHEMBL4849666

CNc1c(C(=O)Nc2cc(NC(=O)c3cc(C)n(C(C)(C)C)n3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ BRAF P15056 14/20 0.39
▸ RAF1 P04049 1/20 0.36
▸ ARAF P10398 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ EGFR P00533 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
SCHEMBL4861557 0.81 BRAF (0.52) NPC1RAB9AMAPTBRAFCSF1R
SCHEMBL4861094 0.79 KDR (0.42) NPC1RAB9ABRAFRAF1ARAF
SCHEMBL4788672 0.79 LMNA (0.50) NPC1RAB9ABRAFRAF1CSF1R
SCHEMBL4789710 0.79 BRAF (0.52) BRAFCSF1RABL1SRCDDR1
SCHEMBL4789714 0.78 BRAF (0.48) MAPTBRAFRAF1CSF1RPIKFYVE
SCHEMBL4861442 0.78 BRAF (0.41) BRAFRAF1CSF1RPIKFYVEABL1
SCHEMBL4788647 0.77 LCK (0.46) BRAFRAF1ARAFCSF1RABL1
SCHEMBL4788095 0.77 BRAF (0.63) BRAFRAF1ARAFCSF1RDDR1
SCHEMBL14027871 0.77 JAK1 (0.42) BRAF
SCHEMBL4789788 0.77 BMX (0.46) NPC1RAB9ABRAFRAF1CSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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