SCHEMBL30576135

SCHEMBL30576135

CCN1CCN(c2cc(-c3ccnc(NC(=O)c4ccc(F)cc4)c3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.55
▸ WNT1 P04628 4/20 0.55
▸ GSK3B P49841 4/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ EGFR P00533 1/20 0.53
▸ ERBB3 P21860 1/20 0.53
▸ HTR1F P30939 1/20 0.51
▸ MAPK14 Q16539 4/20 0.48
▸ RAF1 P04049 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ ACKR3 P25106 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44

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
SCHEMBL30576175 0.88 CHRM1 (0.55) DYRK1AWNT1GSK3BRAB9ASMN1; SMN2
SCHEMBL2072611 0.86 SMN1; SMN2 (0.73) DYRK1AWNT1GSK3BRAB9ASMN1; SMN2
SCHEMBL30576044 0.84 HTR1F (0.57) DYRK1AWNT1GSK3BRAB9ASMN1; SMN2
SCHEMBL30576073 0.83 RAB9A (0.56) DYRK1AGSK3BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29083757 0.82 RXRA (0.60) DYRK1AGSK3BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL30576107 0.79 RAB9A (0.54) DYRK1AGSK3BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL30576105 0.76 DYRK1A (0.60) DYRK1AWNT1GSK3BRAB9AMAPK14
SCHEMBL30576180 0.75 POLB (0.47) DYRK1AWNT1GSK3BRAB9ASMN1; SMN2
SCHEMBL30576121 0.75 MAPK14 (0.52) DYRK1AWNT1GSK3BRAB9AHTR1F
SCHEMBL30576069 0.75 NPC1 (0.57) DYRK1AWNT1GSK3BRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836153-B CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2026-05-19 — — CN disclosed
CN-116836153-A CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2023-10-03 — — CN disclosed
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