SCHEMBL16200211

SCHEMBL16200211

CCn1nc(-c2ccccc2)c(Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CRHBP P24387 2/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
CRHR2 Q13324 2/20 0.48
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 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
SCHEMBL29041058 0.83 MEN1 (0.50) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL18864266 0.81 MEN1 (0.53) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL16200220 0.80 MAPK1 (0.48) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL16200209 0.78 MEN1 (0.46) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL13858455 0.77 MAPT (0.51) MEN1KMT2AKDM4EMAPK1CASP1
SCHEMBL6198110 0.76 TSHR (0.50) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL6199678 0.75 KDR (0.58) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL13858541 0.75 KDM4E (0.49) MEN1KMT2AKDM4ECRHBPMAPK1
SCHEMBL14015686 0.73 RET (0.44) KMT2AKDM4EATMGAAALDH1A1
SCHEMBL13860832 0.72 NPC1 (0.51) MEN1KMT2AKDM4EGAAALDH1A1

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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed