SCHEMBL18976255

SCHEMBL18976255

Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1N(C)C=O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.78
JAK2 O60674 4/20 0.64
LCK P06239 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2C9 P11712 1/20 0.61
SRC P12931 1/20 0.61
CYP2C19 P33261 1/20 0.61
TEC P42680 1/20 0.61
TXK P42681 1/20 0.61
BLK P51451 1/20 0.61
BMX P51813 1/20 0.61
CD69 Q07108 1/20 0.61
ITK Q08881 1/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL20327794 0.90 BTK (0.69) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL18975871 0.89 BTK (0.71) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL21509096 0.88 BTK (0.79) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL19715397 0.88 BTK (1.00) BTKJAK2
SCHEMBL18975849 0.87 BTK (0.60) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL29785259 0.86 BTK (0.72) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL20304002 0.86 BTK (0.72) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL20327779 0.86 BTK (0.72) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL22593435 0.86 BTK (0.67) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL22837855 0.85 BTK (0.69) BTKJAK2LCKCYP3A4CYP2C8

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
EP-3013814-B1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-14 EP disclosed