SCHEMBL23635345

SCHEMBL23635345

Nc1c(N2CCC(c3ccc(Cl)cc3)CC2)nn2c(=O)c3cc(C(F)(F)F)ccc3[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 4/20 0.38
▸ SCD O00767 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 2/20 0.34

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
SCHEMBL20565527 0.76 ARF6 (0.38) DDR1KDM4EMEN1KMT2AMIF
SCHEMBL20565565 0.76 GRM2 (0.45) KDM4EMEN1KMT2ACCNCCDK8
SCHEMBL20565417 0.74 KDM4E (0.38) DDR1KDM4EMEN1KMT2AMIF
SCHEMBL22001264 0.73 TLR8 (0.35) KDM4EMEN1KMT2ACCNCCDK8
SCHEMBL23635316 0.72 ALDH1A1 (0.44) KDM4EMEN1KMT2ACNR1
SCHEMBL23635352 0.71 CCNC (0.37) MEN1KMT2AMIFCCNCCDK8
SCHEMBL23635317 0.70 GRM2 (0.43) KDM4EMEN1KMT2AGRM2AOC3
SCHEMBL23630439 0.67 GRM2 (0.38) KDM4EMEN1KMT2AGRM2AOC3
SCHEMBL20565130 0.64 GRM2 (0.38) KDM4ECDK8GRM2
SCHEMBL20565526 0.64 GRM2 (0.38) CCNCCDK8GRM2

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
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