SCHEMBL2933199

SCHEMBL2933199

COc1ccc(CN2CCN(C)CC2)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CHKA P35790 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
MC4R P32245 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR7 P34969 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2930022 0.88 KDM4E (0.49) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL520005 0.82 LMNA (0.57) CRHBPCRHR2SMN1; SMN2CHKAHTT
SCHEMBL13559777 0.82 CHKA (0.56) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL29952833 0.81 KMT2A (0.50) CRHBPCRHR2SMN1; SMN2KDM4ECHKA
SCHEMBL1911878 0.80 CRHBP (0.55) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL2934367 0.80 LMNA (0.53) KDM4EALDH1A1CHKALMNAMC4R
SCHEMBL9996727 0.79 KDM4E (0.64) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL21565559 0.79 KMT2A (0.50) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL21550472 0.79 HTT (0.56) ALDH1A1CHKAHTTLMNATGFBR1
SCHEMBL29959053 0.79 LMNA (0.57) CRHBPCRHR2SMN1; SMN2ALDH1A1CHKA

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