SCHEMBL30576044

SCHEMBL30576044

CC1CCN(c2cc(-c3ccnc(NC(=O)c4ccc(F)cc4)c3)ccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 2/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ EGFR P00533 1/20 0.53
▸ ERBB3 P21860 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPK14 Q16539 5/20 0.49
▸ DYRK1A Q13627 5/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ ACKR3 P25106 1/20 0.46
▸ PIP5K1C O60331 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ GSK3B P49841 2/20 0.45

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
SCHEMBL30576121 0.91 MAPK14 (0.52) HTR1FRAB9AMAPK14DYRK1ANPC1
SCHEMBL30576073 0.90 RAB9A (0.56) HTR1FRAB9AALDH1A1SMN1; SMN2EGFR
SCHEMBL30576117 0.90 RAF1 (0.48) HTR1FALDH1A1SMN1; SMN2MAPK14DYRK1A
SCHEMBL30576107 0.88 RAB9A (0.54) HTR1FRAB9AALDH1A1SMN1; SMN2EGFR
SCHEMBL30576128 0.88 MAPT (0.55) RAB9AALDH1A1HPGDMAPK14DYRK1A
SCHEMBL29083757 0.88 RXRA (0.60) HTR1FRAB9AALDH1A1SMN1; SMN2EGFR
SCHEMBL30576067 0.87 MALT1 (0.49) HTR1FSMN1; SMN2MAPK14DYRK1AGSK3B
SCHEMBL30576020 0.85 MAPK14 (0.47) RAB9AALDH1A1MAPK14DYRK1ANPC1
SCHEMBL30576035 0.85 RXRA (0.46) MAPK14DYRK1ANPC1PIP5K1CPIK3CA
SCHEMBL30576135 0.84 DYRK1A (0.55) HTR1FRAB9AALDH1A1SMN1; SMN2EGFR

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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