SCHEMBL30576107

SCHEMBL30576107

CC1CCCN(c2cc(-c3ccnc(NC(=O)c4ccc(F)cc4)c3)ccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTR1F P30939 2/20 0.53
▸ MAPK14 Q16539 6/20 0.48
▸ MAPK8 P45983 3/20 0.48
▸ MAPK10 P53779 3/20 0.48
▸ EGFR P00533 2/20 0.48
▸ ERBB3 P21860 1/20 0.48
▸ BTK Q06187 2/20 0.45
▸ ACKR3 P25106 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DYRK1A Q13627 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43

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
SCHEMBL30576044 0.88 HTR1F (0.57) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14
SCHEMBL30576073 0.83 RAB9A (0.56) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14
SCHEMBL30576040 0.82 PROKR1 (0.48) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14
SCHEMBL29083757 0.80 RXRA (0.60) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14
SCHEMBL30576121 0.79 MAPK14 (0.52) RAB9AHTR1FMAPK14KMT2ADYRK1A
SCHEMBL30576135 0.79 DYRK1A (0.55) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14
SCHEMBL30576117 0.78 RAF1 (0.48) ALDH1A1SMN1; SMN2HTR1FMAPK14BTK
SCHEMBL30576045 0.77 RXRA (0.46) RAB9AALDH1A1MAPK14KMT2AKDM4E
SCHEMBL30576128 0.76 MAPT (0.55) RAB9AALDH1A1MAPK14KMT2ADYRK1A
SCHEMBL30576180 0.75 POLB (0.47) RAB9AALDH1A1SMN1; SMN2HTR1FMAPK14

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
Send feedback