SCHEMBL23316356

SCHEMBL23316356

Cc1cn2cc(-c3nc4cc(F)c(N5CCN(C)CC5)cc4c(=O)[nH]3)cc(C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.47
PARP1 P09874 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
IP6K1 Q92551 1/20 0.38
HTR3A P46098 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
FGFR1 P11362 3/20 0.35
KDR P35968 3/20 0.35
PDGFRB P09619 2/20 0.35
NPC1 O15118 1/20 0.33
OPRL1 P41146 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29800672 1.00 TNKS (0.47) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL23316383 0.93 TNKS (0.48) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL29800566 0.93 TNKS (0.48) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL23293921 0.84 ALDH1A1 (0.61) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL23293816 0.80 TNKS (0.61) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL4373847 0.77 IP6K1 (0.48) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL23316396 0.77 TNKS (0.44) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL25151006 0.74 TNKS (0.44) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL25152231 0.73 TNKS (0.52) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL4365201 0.73 ALDH1A1 (0.46) TNKSPARP1TNKS2KDM4EALDH1A1

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
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed