SCHEMBL16085011

SCHEMBL16085011

Cc1ccc(C(=O)NCCN)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.65
ROR1 Q01973 5/20 0.63
ABL1 P00519 14/20 0.62
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55
GAK O14976 1/20 0.54
MLNR O43193 1/20 0.54
RIPK2 O43353 1/20 0.54
JAK2 O60674 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54
EGFR P00533 1/20 0.54
NR3C1 P04150 1/20 0.54
ERBB2 P04626 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
PGR P06401 1/20 0.54
YES1 P07947 1/20 0.54

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
SCHEMBL16085004 0.89 CSF1R (0.63) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL19891210 0.86 ABL1 (0.64) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29493472 0.84 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22243490 0.84 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL589881 0.83 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL15096062 0.83 ROR1 (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29506341 0.83 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL19317721 0.83 ROR1 (0.79) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL16201025 0.82 CSF1R (0.58) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL30010219 0.82 CSF1R (0.72) CSF1RROR1ABL1CYP3A4KCNH2

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-2014145022-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed