SCHEMBL4804740

SCHEMBL4804740

Nc1ncc(F)c(N(c2ccccc2Cl)c2ccccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.41
SYK P43405 1/20 0.40
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 2/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA1 P30542 2/20 0.34

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
SCHEMBL4802754 0.78 DHFR (0.42) BCL6SYKALDH1A1L3MBTL1ADORA1
SCHEMBL4801168 0.78 SYK (0.54) BCL6SYKKDM4EALDH1A1RAB9A
SCHEMBL4802208 0.75 SYK (0.44) BCL6SYKKDM4ERAB9AAURKA
SCHEMBL4802062 0.74 SYK (0.57) BCL6SYKAURKAADORA1
SCHEMBL27612421 0.72 SYK (0.42) BCL6SYKSMN1; SMN2ADORA1
SCHEMBL4799243 0.71 RPS6KA3 (0.41) BCL6SYKKDM4EALDH1A1FGFR1
SCHEMBL4803374 0.71 RPS6KA3 (0.41) BCL6SYKSRCADORA1
SCHEMBL4801395 0.70 SYK (0.76) BCL6SYKRAB9AADORA1
SCHEMBL27612690 0.70 RPS6KA3 (0.38) BCL6SYK
SCHEMBL4805640 0.69 ADORA2A (0.46) BCL6SYKALDH1A1ADORA1

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
US-7329672-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed