SCHEMBL4779963

SCHEMBL4779963

Cc1ncc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
RAF1 P04049 7/20 0.46
AAK1 Q2M2I8 1/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
GALR3 O60755 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4779686 0.81 RAF1 (0.41) BRAFRAF1KDM4ERAB9A
SCHEMBL4729210 0.80 TRPV1 (0.42) BRAFRAF1
SCHEMBL4729212 0.79 TRPV1 (0.41) BRAFRAF1
SCHEMBL4729484 0.79 TRPV1 (0.41) BRAFRAF1
SCHEMBL14292743 0.78 TRPV1 (0.39) BRAFRAF1
SCHEMBL4729549 0.78 BTK (0.40) BRAFRAF1ALDH1A1MAPTPOLB
SCHEMBL4726226 0.78 RAF1 (0.46) BRAFRAF1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4728383 0.77 NPC1 (0.52) BRAFRAF1LMNAHTTKDM4E
SCHEMBL4729438 0.77 MEN1 (0.54) BRAFRAF1MAPK1LMNAHTT
SCHEMBL4726798 0.77 RAF1 (0.42) BRAFRAF1

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed