SCHEMBL22030440

SCHEMBL22030440

C=C(C)c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.32
▸ QRFPR Q96P65 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCND3 P30281 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CCNH P51946 1/20 0.30
▸ MNAT1 P51948 1/20 0.30
▸ CDK6 Q00534 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL19712011 0.86 DHODH (0.36) HCRTR2QRFPR
SCHEMBL20393717 0.79 LMNA (0.33) —
SCHEMBL19711947 0.79 QRFPR (0.35) HCRTR2QRFPR
SCHEMBL18136192 0.77 KDM4E (0.45) MAPT
SCHEMBL19974425 0.76 QRFPR (0.33) QRFPR
SCHEMBL21065788 0.76 ALOX15 (0.32) QRFPR
SCHEMBL21230341 0.76 CA2 (0.37) QRFPR
SCHEMBL19974053 0.76 QRFPR (0.33) QRFPR
SCHEMBL29538895 0.76 QRFPR (0.33) QRFPR
SCHEMBL23221114 0.76 — —

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
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
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