SCHEMBL25153307

SCHEMBL25153307

CC1(O)CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.64
▸ DYRK2 Q92630 2/20 0.64
▸ DYRK1B Q9Y463 2/20 0.64
▸ MAP3K11 Q16584 17/20 0.64
▸ CYP3A4 P08684 3/20 0.60
▸ LRRK2 Q5S007 3/20 0.60
▸ SGK1 O00141 1/20 0.60
▸ IKBKB O14920 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ CHUK O15111 1/20 0.60
▸ PRKAB2 O43741 1/20 0.60
▸ ROCK2 O75116 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ NTRK1 P04629 1/20 0.60
▸ INSR P06213 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ CDK1 P06493 1/20 0.60
▸ IGF1R P08069 1/20 0.60
▸ MET P08581 1/20 0.60
▸ SRC P12931 1/20 0.60

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
SCHEMBL31396549 1.00 DYRK1A (0.64) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL29253587 0.87 MAP3K11 (0.75) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL30938065 0.87 MAP3K11 (0.75) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL25153308 0.86 MAP3K11 (0.81) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL31396599 0.86 MAP3K11 (0.81) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL31396600 0.82 MAP4K1 (0.59) DYRK1ADYRK2DYRK1BMAP3K11CLK1
SCHEMBL25153309 0.82 MAP4K1 (0.59) DYRK1ADYRK2DYRK1BMAP3K11CLK1
SCHEMBL25153604 0.81 DYRK1A (0.40) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL723789 0.79 MAP3K11 (1.00) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4
SCHEMBL12763475 0.79 MAP3K11 (0.83) DYRK1ADYRK2DYRK1BMAP3K11CYP3A4

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
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 — — WO disclosed
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