SCHEMBL30939974

SCHEMBL30939974

Oc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCNCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 2/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ XDH P47989 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CXCR4 P61073 7/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ KDM5C P41229 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL16102546 1.00 HASPIN (0.46) HASPINDYRK2XDHDYRK1AADRB2
SCHEMBL30939883 0.94 HASPIN (0.49) HASPINDYRK2XDHDYRK1AADRB2
SCHEMBL16102630 0.94 HASPIN (0.49) HASPINDYRK2XDHDYRK1AADRB2
SCHEMBL30939917 0.90 HASPIN (0.48) HASPINDYRK2XDHGRIN1GRIN2B
SCHEMBL16101221 0.90 HASPIN (0.48) HASPINDYRK2XDHGRIN1GRIN2B
SCHEMBL16123614 0.88 HASPIN (0.47) HASPINDYRK2
SCHEMBL30939941 0.88 HASPIN (0.47) HASPINDYRK2
SCHEMBL16099108 0.85 HASPIN (0.66) HASPINDYRK2DYRK1A
SCHEMBL30939900 0.85 HASPIN (0.66) HASPINDYRK2DYRK1A
SCHEMBL16100331 0.84 DYRK1A (0.48) HASPINDYRK1A

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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