SCHEMBL7147132

SCHEMBL7147132

N[C@H]1CC[C@H](Nc2nc3ncnc-3c(Nc3ccc(OC(F)(F)F)cc3)[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
ABL1 P00519 5/20 0.41
BCR P11274 5/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
FLT3 P36888 5/20 0.39
CDK2 P24941 2/20 0.39
CCNE1 P24864 1/20 0.39
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
CCNT1 O60563 1/20 0.37
KIT P10721 3/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
EIF2AK2 P19525 1/20 0.35

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
Hydrochloric Acid SCHEMBL4893879 0.99 SYK (0.42) SYKABL1BCRCTSLCTSB
Hydrochloric Acid SCHEMBL4893927 0.99 SYK (0.42) SYKABL1BCRCTSLCTSB
SCHEMBL7157418 0.87 MAPK6 (0.39) SYKCTSLCTSBCTSSCTSK
SCHEMBL7157428 0.87 MAPK6 (0.39) SYKCTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4897810 0.86 MAPK6 (0.38) SYKCTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4898540 0.83 BTK (0.39) FLT3CDK2CCNE1PIM1CDK1
SCHEMBL7150974 0.81 FLT3 (0.40) SYKFLT3CDK2KITPIM1
SCHEMBL7150967 0.81 FLT3 (0.40) SYKFLT3CDK2KITPIM1
Hydrochloric Acid SCHEMBL4892763 0.79 MAPKAPK2 (0.50) ABL1EGFR
SCHEMBL4899226 0.76 TTBK1 (0.44) ABL1BCRTTBK1TTBK2KCNH2

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-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed