SCHEMBL20357748

SCHEMBL20357748

c1ccc(-c2nccc(Nc3ccc(CN4CCC5(CC4)COC5)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.56
▸ SYK P43405 4/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ PRKAA2 P54646 2/20 0.42
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CYP2D6 P10635 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL27965372 0.86 JAK2 (0.52) JAK2SYKABCG2PLK4CYP2D6
SCHEMBL28753755 0.82 ABCG2 (0.55) JAK2SYKABCG2PRKAA2ACHE
SCHEMBL28753785 0.75 SYK (0.61) JAK2SYKABCG2PRKAA2KDR
SCHEMBL18123312 0.73 ALDH1A1 (0.63) CYP2D6CYP3A4CYP2C19TSHRCHRM2
SCHEMBL20529569 0.72 PLK4 (0.72) JAK2ABCG2PLK4KDRMAPK1
SCHEMBL14717210 0.72 SYK (1.00) JAK2SYK
SCHEMBL2422608 0.71 ABCG2 (0.72) ABCG2CHEK1CDK1CYP2D6CYP3A4
SCHEMBL28941887 0.70 NPC1 (0.59) SYKABCG2PLK4KDRCYP2D6
SCHEMBL28227359 0.68 ROCK2 (0.61) JAK2SYKABCG2PLK4TSHR
SCHEMBL8346049 0.68 ABCG2 (0.67) ABCG2CHEK1CDK1KDRCYP2D6

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
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 — — EP claimed
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