SCHEMBL4729549

SCHEMBL4729549

Cc1ncc(NC(=O)c2cc(C(=O)NCCN(C)C)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
BRAF P15056 6/20 0.40
RAF1 P04049 5/20 0.40
MCHR1 Q99705 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
CDC7 O00311 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
IGF1R P08069 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4729210 0.88 TRPV1 (0.42) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL14292743 0.88 TRPV1 (0.39) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL4729484 0.88 TRPV1 (0.41) BRAFRAF1TRPV1SIRT2SIRT1
SCHEMBL4729212 0.88 TRPV1 (0.41) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL4730164 0.86 MAPK14 (0.53) BRAFRAF1
SCHEMBL4726088 0.85 RAF1 (0.41) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL4729438 0.85 MEN1 (0.54) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL4781066 0.84 MAPK14 (0.55) RAF1
SCHEMBL4726226 0.84 RAF1 (0.46) BRAFRAF1TRPV1HDAC6HDAC3
SCHEMBL4726798 0.83 RAF1 (0.42) BRAFRAF1TRPV1HDAC6HDAC3

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