SCHEMBL21698353

SCHEMBL21698353

CCc1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.34
▸ DRD4 P21917 3/20 0.33
▸ GRM2 Q14416 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ BMI1 P35226 2/20 0.33
▸ RORC P51449 1/20 0.32
▸ QRFPR Q96P65 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ RHEB Q15382 1/20 0.32

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
SCHEMBL20393835 0.80 KCNH2 (0.33) RORCS1PR1CNR2
SCHEMBL18136192 0.80 KDM4E (0.45) IRAK4
SCHEMBL29538895 0.78 QRFPR (0.33) QRFPR
SCHEMBL21065788 0.78 ALOX15 (0.32) QRFPR
SCHEMBL19974053 0.78 QRFPR (0.33) MCHR1QRFPR
SCHEMBL19974425 0.78 QRFPR (0.33) QRFPR
SCHEMBL21230341 0.78 CA2 (0.37) TLR7QRFPR
SCHEMBL21698390 0.77 S1PR1 (0.40) QRFPRS1PR1
SCHEMBL21698427 0.77 S1PR1 (0.40) QRFPRS1PR1
SCHEMBL25888568 0.77 CNR2 (0.35) QRFPRCNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356362-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES USEFUL AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-03 — — EP disclosed
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 — — EP disclosed
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