SCHEMBL21170079

SCHEMBL21170079

Cc1ccc(C(C)(C)CNc2ccc(-c3ccc4[nH]cnc4c3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.39
▸ IL1B P01584 8/20 0.35
▸ TNF P01375 1/20 0.33
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ MAP3K8 P41279 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL12287831 0.91 PSEN1 (0.39) QPCTIL1BPSEN1PSEN2APH1B
SCHEMBL14990531 0.83 QPCT (0.46) QPCTPSEN1PSEN2APH1BNCSTN
SCHEMBL12289987 0.79 JAK2 (0.44) —
SCHEMBL21170244 0.79 NPBWR1 (0.38) IL1BTNF
SCHEMBL21170124 0.79 ABL1 (0.37) IL1BTNFNPC1MAPTRAB9A
SCHEMBL21170341 0.78 IL1B (0.39) IL1BTNFNPC1MAPTRAB9A
SCHEMBL21170312 0.78 ABL1 (0.47) —
SCHEMBL21170299 0.77 NPC1 (0.47) IL1BTNFPSEN1PSEN2APH1B
SCHEMBL12287847 0.76 PSEN1 (0.38) IL1BTNFPSEN1PSEN2APH1B
SCHEMBL21170272 0.76 IL1B (0.39) IL1BTNFNPC1MAPTRAB9A

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
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