SCHEMBL1799095

SCHEMBL1799095

Nc1cncc2[nH]c3ccc(Cl)cc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.55
DYRK1A Q13627 2/20 0.42
MAP2K7 O14733 1/20 0.41
MAP3K14 Q99558 3/20 0.40
LMNA P02545 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39

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
SCHEMBL1798677 0.81 CHUK (0.55) CHUKDYRK1ALMNAGABRPGABRD
SCHEMBL1799540 0.81 CHUK (0.55) CHUKDYRK1AMAP3K14LMNAGABRP
SCHEMBL20482755 0.76 GABRA1 (0.52) CHUKGABRPGABRDGABRA1GABRB1
SCHEMBL29453525 0.72 CHUK (0.64) CHUKLMNACYP1A2GAAHPGD
SCHEMBL607827 0.72 CHUK (0.64) CHUKLMNACYP1A2GAAHPGD
SCHEMBL2691029 0.71 CHUK (1.00) CHUKDYRK1AGABRPGABRDGABRA1
SCHEMBL29884747 0.71 CHUK (1.00) CHUKDYRK1AGABRPGABRDGABRA1
SCHEMBL29756451 0.71 CHUK (1.00) CHUKDYRK1AGABRPGABRDGABRA1
SCHEMBL25565271 0.71 CHUK (0.50) CHUKLMNACYP1A2GAAHPGD
SCHEMBL11089249 0.70 PDE10A (0.54) CHUKDYRK1ALMNACA1CA2

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
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed