SCHEMBL24885891

SCHEMBL24885891

Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 6/20 0.57
ABL1 P00519 13/20 0.57
CSF1R P07333 2/20 0.57
ABL2 P42684 2/20 0.52
CYP3A4 P08684 2/20 0.51
KCNH2 Q12809 2/20 0.51
GAK O14976 1/20 0.50
MLNR O43193 1/20 0.50
RIPK2 O43353 1/20 0.50
JAK2 O60674 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
MAP4K4 O95819 1/20 0.50
EGFR P00533 1/20 0.50
NR3C1 P04150 1/20 0.50
ERBB2 P04626 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL30078084 1.00 ROR1 (0.57) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL30078301 0.85 ABL1 (0.57) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL24885421 0.85 ABL1 (0.57) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL31290930 0.83 ABL1 (0.53) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL24885535 0.83 ABL1 (0.53) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL23808095 0.76 KCNH2 (0.53) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL23808100 0.76 KCNH2 (0.53) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL23808176 0.76 KCNH2 (0.53) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL24885737 0.76 ABL1 (0.48) ROR1ABL1CSF1RABL2CYP3A4
SCHEMBL31290938 0.76 ABL1 (0.48) ROR1ABL1CSF1RABL2CYP3A4

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
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed