SCHEMBL2551874

SCHEMBL2551874

Nc1nc(Nc2ccc(N3CCOCC3)c(F)c2)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.56
▸ CDK4 P11802 4/20 0.56
▸ CDK6 Q00534 4/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ SYK P43405 3/20 0.56
▸ JAK3 P52333 5/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ JAK1 P23458 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ CDK2 P24941 2/20 0.50
▸ CCNT1 O60563 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ AXL P30530 1/20 0.48
▸ KCNH2 Q12809 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
SCHEMBL15790797 0.88 SYK (0.51) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL19527697 0.85 SYK (0.48) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL4039797 0.80 SYK (0.49) SYKJAK3JAK2JAK1TYK2
SCHEMBL24507533 0.79 JAK2 (0.57) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL3955783 0.77 AXL (0.59) CSF1RMAPK9SYKJAK3JAK2
SCHEMBL3553588 0.77 CDK2 (0.81) CSF1RCDK4CDK6CDK2KCNH2
SCHEMBL24385958 0.77 CDK4 (0.51) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL19527758 0.76 NPC1 (0.46) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL22171205 0.75 CCND1 (0.63) CSF1RCDK4CDK6MAPK9MAPK10
SCHEMBL28447910 0.75 JAK3 (0.65) CSF1RCDK4CDK6MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558474-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2013-02-20 — — EP claimed
WO-2011130390-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO claimed
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