SCHEMBL2927003

SCHEMBL2927003

Cc1cc(CN2CCN(C)CC2)ccc1I

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MC4R P32245 1/20 0.51
CHKA P35790 7/20 0.50
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2934367 0.87 LMNA (0.53) LMNAMC4RCHKACA2NCF1
SCHEMBL14609609 0.84 LMNA (0.58) LMNAMC4RCHKACA2NCF1
SCHEMBL2928518 0.82 LMNA (0.51) LMNAMC4RCHKACA2NCF1
SCHEMBL16178546 0.80 LMNA (0.62) LMNAMC4RCHKACA2NCF1
SCHEMBL10071720 0.80 CHKA (0.56) LMNAMC4RCHKACA2NCF1
SCHEMBL1394191 0.80 LMNA (0.53) LMNAMC4RCHKACA2NCF1
SCHEMBL2930022 0.80 KDM4E (0.49) LMNAMC4RCHKAALDH1A1KDM4E
SCHEMBL14035671 0.79 LMNA (0.51) LMNAMC4RCHKACA2NCF1
SCHEMBL26952893 0.78 LMNA (0.59) LMNAMC4RCHKACA2NCF1
SCHEMBL19111201 0.78 LMNA (0.50) LMNAMC4RCHKACA2NCF1

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
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed