SCHEMBL19993342

SCHEMBL19993342

CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2c(C)cc(C)nc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTR6 P50406 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL22775948 0.85 HTR6 (0.42) KDM4EPOLBHTR6CYP1A2MEN1
SCHEMBL29526330 0.85 HTR6 (0.42) KDM4EPOLBHTR6CYP1A2MEN1
SCHEMBL31121689 0.83 HTR6 (0.37) HTR6PTGS2
SCHEMBL19973846 0.83 HTR6 (0.37) HTR6PTGS2
SCHEMBL23956637 0.83 POLB (0.33) KDM4EPOLBMEN1KMT2ATSHR
SCHEMBL19993248 0.80 JAK2 (0.31) —
SCHEMBL30130676 0.79 ENPP1 (0.30) —
SCHEMBL30130668 0.78 — —
SCHEMBL19993432 0.78 ALDH1A1 (0.32) PDE10A
SCHEMBL30130698 0.78 DHODH (0.33) POLB

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-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — WO disclosed
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