SCHEMBL4801741

SCHEMBL4801741

Cc1cccc(N(c2cccc(C)c2)c2nc(N)ncc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
ADORA1 P30542 1/20 0.42
RPS6KA3 P51812 1/20 0.39
DHFR P00374 1/20 0.39
AURKA O14965 2/20 0.38
CSF1R P07333 3/20 0.38
EGFR P00533 3/20 0.37
RAB9A P51151 1/20 0.36
BCL6 P41182 1/20 0.36
FGFR1 P11362 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL4801395 0.85 SYK (0.76) SYKADORA1RPS6KA3DHFRRAB9A
SCHEMBL4805600 0.83 SYK (0.57) SYKDHFREGFRBCL6FGFR1
SCHEMBL4802062 0.83 SYK (0.57) SYKADORA1DHFRAURKABCL6
SCHEMBL655132 0.83 SYK (0.57) SYKADORA1RPS6KA3DHFRBCL6
SCHEMBL27612623 0.82 SYK (0.53) SYKRPS6KA3DHFRBCL6
SCHEMBL4801168 0.82 SYK (0.54) SYKADORA1RAB9ABCL6TSHR
SCHEMBL4798557 0.81 SYK (0.48) SYKRPS6KA3DHFRBCL6FGFR1
SCHEMBL27631778 0.79 SYK (0.50) SYKRPS6KA3AURKAEGFRBCL6
SCHEMBL4803374 0.77 RPS6KA3 (0.41) SYKADORA1RPS6KA3BCL6KMT2A
SCHEMBL4799243 0.77 RPS6KA3 (0.41) SYKADORA1RPS6KA3DHFRBCL6

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