SCHEMBL28059025

SCHEMBL28059025

Cc1nc(N)sc1-c1ccnc(Nc2ccc(F)cc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPK10 P53779 5/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28059001 0.81 MAPK10 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28059002 0.74 PIK3C3 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5789745 0.74 CDK4 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8230360 0.73 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28059017 0.72 CDK4 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28059097 0.70 CDK4 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8084192 0.69 MAPT (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL330449 0.68 MAPT (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28059096 0.68 MAPK10 (0.68) MAPK10DYRK1ACDK2CDK4CCNE1
SCHEMBL1883531 0.68 MAPK14 (0.45) MEN1KMT2AMAPTNPC1RAB9A

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
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed