SCHEMBL30534009

SCHEMBL30534009

Cn1c(N2C[C@H](F)C[C@@H](Nc3ncc(C(F)(F)F)cn3)C2)nc2cc([N+](=O)[O-])c(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25268511 1.00 GRM6 (0.33) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL25275778 0.89 PKM (0.32) MAPT
SCHEMBL25220796 0.89 PKM (0.32) MAPT
SCHEMBL25279111 0.89 IL1B (0.33) MEN1KMT2A
SCHEMBL30464446 0.89 IL1B (0.33) MEN1KMT2A
SCHEMBL25222644 0.89 IL1B (0.33) MEN1KMT2A
SCHEMBL25285585 0.88 CHRM4 (0.34) MAPTTDP1MEN1KMT2A
SCHEMBL25279915 0.88 CHRM4 (0.34) MAPTTDP1MEN1KMT2A
SCHEMBL25218322 0.88 CHRM4 (0.34) MAPTTDP1MEN1KMT2A
SCHEMBL25263303 0.86 SERPINE1 (0.36) MAPTCYP2C9MEN1KMT2A

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-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed