SCHEMBL29625633

SCHEMBL29625633

c1cc2cc3[nH]c4cc5ccncc5cc4c3cc2cn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 12/20 0.59
PIM1 P11309 4/20 0.59
CCNT1 O60563 4/20 0.59
CDK9 P50750 4/20 0.59
ACHE P22303 3/20 0.46
CHUK O15111 4/20 0.45
CLK1 P49759 1/20 0.45

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
SCHEMBL9739332 0.93 ACHE (0.57) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL22810058 0.89 PIM1 (0.61) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL1594417 0.89 PIM1 (0.61) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL11071687 0.87 HASPIN (0.48) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL24277019 0.84 ACHE (0.73) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL12886713 0.83 HASPIN (0.51) HASPINPIM1CCNT1CDK9ACHE
SCHEMBL22766047 0.78 HASPIN (0.57) HASPINPIM1CCNT1CDK9
SCHEMBL11064167 0.78 HASPIN (0.46) HASPINPIM1CCNT1CDK9
SCHEMBL445516 0.77 CLK1 (0.57) HASPINPIM1CCNT1CDK9CLK1
SCHEMBL4036768 0.77 CLK1 (0.57) HASPINPIM1CCNT1CDK9CLK1

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-2022131780-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 WO disclosed