SCHEMBL4803374

SCHEMBL4803374

Cc1ccc(N(c2ccc(C)cc2C)c2nc(N)ncc2F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
SYK P43405 1/20 0.38
NUDT1 P36639 2/20 0.35
HRH4 Q9H3N8 5/20 0.34
LCK P06239 3/20 0.33
KDR P35968 2/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.33
BCL6 P41182 1/20 0.33
ABL1 P00519 1/20 0.32
KIT P10721 2/20 0.32
SRC P12931 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL4799243 0.89 RPS6KA3 (0.41) RPS6KA3SYKNUDT1LCKKMT2A
SCHEMBL4801741 0.77 SYK (0.57) RPS6KA3SYKKMT2AADORA1BCL6
SCHEMBL27612690 0.76 RPS6KA3 (0.38) RPS6KA3SYKNUDT1KDRJAK3
SCHEMBL4798557 0.75 SYK (0.48) RPS6KA3SYKNUDT1LCKKDR
SCHEMBL4804740 0.71 BCL6 (0.41) SYKADORA1BCL6SRC
SCHEMBL4802754 0.70 DHFR (0.42) SYKADORA1BCL6
SCHEMBL4801168 0.69 SYK (0.54) SYKADORA1BCL6
SCHEMBL19553895 0.69 NUDT1 (0.42) RPS6KA3SYKNUDT1BCL6NOS1
SCHEMBL655132 0.69 SYK (0.57) RPS6KA3SYKKMT2AADORA1BCL6
SCHEMBL585557 0.68 TDP1 (0.46) KMT2A

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