SCHEMBL4258091

SCHEMBL4258091

CC(Oc1c[nH]c2nc(N)nc(-c3ccccc3)c12)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 12/20 0.47
LRRK2 Q5S007 2/20 0.37
CDC7 O00311 1/20 0.37
ROS1 P08922 1/20 0.37
KIT P10721 1/20 0.37
MARK3 P27448 1/20 0.37
FLT3 P36888 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MAP3K10 Q02779 1/20 0.37
STK3 Q13188 1/20 0.37
MELK Q14680 1/20 0.37
MARK4 Q96L34 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
IKBKB O14920 9/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ADORA2A P29274 5/20 0.35

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
SCHEMBL4258084 0.80 LRRK2 (0.47) CHUKLRRK2CDC7ROS1KIT
SCHEMBL4258096 0.76 ADORA1 (0.51) CHUKADORA2AADORA1
SCHEMBL22609954 0.70 CHUK (0.63) CHUKIKBKBADORA2AADORA1
SCHEMBL28520194 0.69 CHUK (0.65) CHUKLRRK2CDK8MAP2K1CAMK2A
SCHEMBL4900909 0.68 ADORA1 (0.40) ADORA2AADORA1
SCHEMBL4907336 0.67 ADORA2A (0.43) ALDH1A1ADORA2AADORA1
SCHEMBL1261101 0.66 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11181562 0.65 DRD2 (0.40) LRRK2ALDH1A1HTT
SCHEMBL4252649 0.65 CHUK (0.46) CHUKIKBKBADORA2AADORA1
SCHEMBL11126668 0.64 KMT2A (0.36) ALDH1A1HTT

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-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO claimed