SCHEMBL30940002

SCHEMBL30940002

Cc1nc(F)cc2c3ccc(O)cc3n(CCCN3CCNCC3)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ TRPV4 Q9HBA0 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ WEE1 P30291 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ RET P07949 1/20 0.34
▸ KIF5B P33176 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL16123607 1.00 XDH (0.38) XDHSLC6A2SLC6A4KCNH2HASPIN
SCHEMBL30939951 0.94 SLC6A2 (0.39) XDHSLC6A2SLC6A4KCNH2HASPIN
SCHEMBL16123589 0.94 SLC6A2 (0.39) XDHSLC6A2SLC6A4KCNH2HASPIN
SCHEMBL30939996 0.88 ABCB1 (0.42) HASPINWEE1
SCHEMBL16123621 0.88 ABCB1 (0.42) HASPINWEE1
SCHEMBL30939946 0.86 DYRK1A (0.48) HASPIN
SCHEMBL16123608 0.86 DYRK1A (0.48) HASPIN
SCHEMBL30940006 0.86 ABCB1 (0.42) HASPINESR1ESR2WEE1
SCHEMBL16123622 0.86 ABCB1 (0.42) HASPINESR1ESR2WEE1
SCHEMBL16123663 0.83 DYRK1A (0.49) HASPIN

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
CN-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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