SCHEMBL16200220

SCHEMBL16200220

CCn1nc(-c2ccccc2)c(Br)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CRHBP P24387 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
CRHR2 Q13324 2/20 0.48
KDM4E B2RXH2 1/20 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
ATM Q13315 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
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL29041058 0.83 MEN1 (0.50) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL16200211 0.80 MEN1 (0.48) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL13860722 0.77 MAPT (0.51) MAPK1MEN1KMT2ACASP1CASP7
SCHEMBL16200208 0.76 MAPK1 (0.44) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL6198110 0.76 TSHR (0.50) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL6199678 0.75 KDR (0.58) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL13858541 0.75 KDM4E (0.49) MAPK1MEN1KMT2ACRHBPCASP1
SCHEMBL13860520 0.74 NPC1 (0.53) MEN1KMT2AKDM4ECA1CA2
SCHEMBL14015683 0.73 RET (0.44) KMT2ASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL17322911 0.69 HSD17B10 (0.64) MAPK1MEN1KMT2ACRHBPCASP1

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