SCHEMBL24310523

SCHEMBL24310523

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.31
▸ AXL P30530 1/20 0.30

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
SCHEMBL24309539 0.92 TACR1 (0.32) TACR1
SCHEMBL24310722 0.87 AXL (0.30) AXL
SCHEMBL24310085 0.87 CDK1 (0.30) —
SCHEMBL24310404 0.86 TACR1 (0.33) TACR1AXL
SCHEMBL29566949 0.85 HTR1A (0.34) TACR1
SCHEMBL24310520 0.85 HTR1A (0.34) TACR1
SCHEMBL24310455 0.84 DRD2 (0.31) AXL
SCHEMBL24310712 0.84 AXL (0.33) AXL
SCHEMBL24310558 0.84 IGF1R (0.31) TACR1
SCHEMBL24310709 0.82 DRD2 (0.33) AXL

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-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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