SCHEMBL29663550

SCHEMBL29663550

CC(C)CCn1cc(-c2nn3ccnc3c(=O)n2C(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.41
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ NAMPT P43490 4/20 0.34
▸ PIK3CD O00329 3/20 0.32
▸ PIK3R2 O00459 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ CREBBP Q92793 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
SCHEMBL29663254 0.87 FADS1 (0.40) KDM5BSYKPIK3CDPIK3R2PIK3CG
SCHEMBL29663420 0.87 KDM5B (0.43) KDM5BSYKPIK3CDPIK3CG
SCHEMBL29663430 0.84 KDM5B (0.43) KDM5BSYKPIK3CDPIK3CGBRD4
SCHEMBL29662997 0.84 PDK2 (0.38) KDM5BPIK3CDPIK3R2PIK3CGJAK2
SCHEMBL29663507 0.79 KDM5A (0.34) KDM5BPIK3CDPIK3R2PIK3CGBRD4
SCHEMBL29663208 0.74 CREBBP (0.47) PIK3CDBRD4CREBBP
SCHEMBL29663428 0.74 KDM5B (0.40) KDM5BPRMT5WDR77SYKNAMPT
SCHEMBL29663303 0.74 KDM5B (0.38) KDM5BPRMT5WDR77SYKNAMPT
SCHEMBL29663510 0.70 JMJD6 (0.34) KDM5BPIK3CDBRD4
SCHEMBL29663145 0.70 PIK3CD (0.35) PIK3CDPIK3CG

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-3999183-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF Ono Pharmaceutical Co., Ltd. (JP) 2022-05-25 — — EP disclosed
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