SCHEMBL30332252

SCHEMBL30332252

CC(C)(C)n1cc(-c2ncccc2CN)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ KDM5B Q9UGL1 3/20 0.37
▸ PDK2 Q15119 3/20 0.35
▸ JAK2 O60674 5/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ CCR9 P51686 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL30331919 0.79 PIM1 (0.45) DPP4PDK2JAK2JAK1TYK2
SCHEMBL30332122 0.78 PDK2 (0.48) DPP4PDK2JAK2JAK1TYK2
SCHEMBL30331886 0.75 CNR2 (0.45) KDM5BPDK2TRPV1
SCHEMBL30332533 0.74 DPP4 (0.43) DPP4PDK2JAK2JAK1TYK2
SCHEMBL30332464 0.71 DPP4 (0.43) DPP4CCR9
SCHEMBL439097 0.71 DPP4 (0.63) DPP4CCR9KMT2A
SCHEMBL5616194 0.70 DPP4 (0.59) DPP4ATR
SCHEMBL18086773 0.70 KDR (0.46) PDK2PIM1
SCHEMBL30607659 0.69 DPP4 (0.41) DPP4CCR9KMT2ATRPV1
SCHEMBL9400328 0.69 CYP2A6 (0.56) DPP4

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-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
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