Phosphoric Acid

Phosphoric Acid

SCHEMBL29632569

COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.O=P(O)(O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 15/20 0.79
CHEK1 O14757 18/20 0.79
NUAK1 O60285 1/20 0.71
CHEK2 O96017 1/20 0.71
RPS6KB1 P23443 1/20 0.71
FLT3 P36888 1/20 0.71
BLK P51451 1/20 0.71
PRKAG1 P54619 1/20 0.71
PRKAA1 Q13131 1/20 0.71
PRKAB1 Q9Y478 1/20 0.71

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
Phosphoric Acid SCHEMBL26668654 1.00 CHEK1 (0.79) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24945094 0.95 CHEK1 (0.87) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632307 0.95 CHEK1 (0.87) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Hydrochloric Acid SCHEMBL26668648 0.94 CHEK1 (0.85) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936228 0.88 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632518 0.88 CHEK1 (0.70) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29045199 0.88 CHEK1 (0.70) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936227 0.84 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632541 0.84 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24935532 0.83 CHEK1 (0.72) CHEK1KCNH2NUAK1CHEK2RPS6KB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN disclosed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed
WO-2022114189-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE 住友ファーマ株式会社 2022-06-02 WO disclosed