Phosphoric Acid

Phosphoric Acid

SCHEMBL28297504

N#CCCn1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O

nearest known ligand 0.61

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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 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 20/20 0.61
JAK1 known ✓ P23458 9/20 0.59
JAK3 known ✓ P52333 7/20 0.59
TYK2 known ✓ P29597 4/20 0.59
KIT known ✓ P10721 1/20 0.50
FGFR1 known ✓ P11362 1/20 0.50
HDAC6 Q9UBN7 12/20 0.61
HDAC1 Q13547 9/20 0.60
HDAC3 O15379 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
RET P07949 3/20 0.50
ROCK1 Q13464 3/20 0.50
CIT O14578 2/20 0.50
GAK O14976 2/20 0.50

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
SCHEMBL101593 0.94 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
Trifluoroacetic Acid SCHEMBL860379 0.88 JAK2 (0.60) JAK2HDAC6HDAC1JAK1JAK3
Indene SCHEMBL19019767 0.80 JAK2 (0.49) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13678278 0.79 JAK2 (0.53) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695723 0.79 JAK2 (0.65) JAK2HDAC6HDAC1JAK1JAK3
Phosphoric Acid SCHEMBL3008015 0.78 JAK2 (0.68) JAK2HDAC6HDAC1JAK1JAK3
Phosphoric Acid SCHEMBL30338770 0.78 JAK2 (0.68) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL27741963 0.78 JAK2 (0.65) JAK2HDAC6HDAC1JAK1JAK3
Propionitrile SCHEMBL28262144 0.78 JAK2 (0.55) JAK2HDAC6JAK1JAK3TYK2
Phosphoric Acid SCHEMBL27231611 0.77 JAK2 (0.57) JAK2HDAC6JAK1JAK3TYK2

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-110229159-A Lu Suo replaces the deuterated derivative of Buddhist nun 康塞特医药品有限公司 2019-09-13 CN disclosed
CN-104725380-B Deuterated derivative of ruxotinib 康塞特医药品有限公司 2019-06-28 CN disclosed
CN-105407890-B Conjugate comprising MABA compound and corticosteroid 阿尔米雷尔有限公司 2019-06-07 CN disclosed