SCHEMBL24651202

SCHEMBL24651202

CCCn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2cc(C(F)(F)F)ccc2F)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.59
EIF2AK3 Q9NZJ5 11/20 0.59
EIF2AK2 P19525 6/20 0.59
EIF2AK1 Q9BQI3 5/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2C9 P11712 3/20 0.59
EIF2AK4 Q9P2K8 2/20 0.59
CYP2C8 P10632 2/20 0.59
CYP2D6 P10635 2/20 0.59
NTRK1 P04629 2/20 0.48
LCK P06239 2/20 0.48
YES1 P07947 2/20 0.48
RET P07949 2/20 0.48
KIT P10721 2/20 0.48
AXL P30530 2/20 0.48
MAP3K9 P80192 2/20 0.48
MAP3K10 Q02779 2/20 0.48
MERTK Q12866 2/20 0.48
PTK6 Q13882 2/20 0.48
NTRK3 Q16288 2/20 0.48

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
SCHEMBL30120797 0.94 EIF2AK3 (0.58) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL24651187 0.94 EIF2AK3 (0.58) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL30121061 0.92 RIPK1 (0.57) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL24651200 0.92 RIPK1 (0.57) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL30120824 0.92 EIF2AK3 (0.56) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL24650635 0.92 EIF2AK3 (0.56) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL30120746 0.91 EIF2AK3 (0.56) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL24651061 0.91 EIF2AK3 (0.56) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL30120836 0.90 RIPK1 (0.54) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4
SCHEMBL24650632 0.87 EIF2AK3 (0.57) RIPK1EIF2AK3EIF2AK2EIF2AK1CYP3A4

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed