SCHEMBL4783723

SCHEMBL4783723

COc1c(C(=O)Nc2cnc(C)c(-n3cc(C(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1-n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CD38 P28907 2/20 0.33
DDT P30046 1/20 0.32
CYP3A4 P08684 5/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABL1 P00519 1/20 0.31
MALT1 Q9UDY8 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4783718 0.90 LMNA (0.36) LMNACD38DDTCYP3A4ALDH1A1
SCHEMBL4780945 0.84 DDT (0.33) LMNADDTALDH1A1MAPTHTT
SCHEMBL4780832 0.82 LMNA (0.42) LMNACYP3A4ALDH1A1MAPTHTT
SCHEMBL4779770 0.82 NR1H4 (0.39) LMNADDT
SCHEMBL4778561 0.80 DDT (0.45) DDTALDH1A1
SCHEMBL4799766 0.79 DDT (0.32) DDTMALT1
SCHEMBL1378336 0.78 LMNA (0.45) LMNACYP3A4ABL1
SCHEMBL4778554 0.78 DDT (0.42) DDT
SCHEMBL4782954 0.76 BRAF (0.40)
SCHEMBL4781726 0.75 MAPK14 (0.41) LMNADDTCYP3A4ALDH1A1MAPT

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