SCHEMBL27825343

SCHEMBL27825343

[CH2]CC(n1ccc2cnc(Nc3ccc(CN(C)C)cc3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ CCNA2 P20248 2/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ CDK4 P11802 6/20 0.37
▸ CCND1 P24385 3/20 0.37
▸ CCND3 P30281 3/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RPS6KA1 Q15418 1/20 0.36
▸ AURKA O14965 1/20 0.35

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
SCHEMBL1284506 0.91 CAMK2D (0.43) CAMK2DCSF1RTBK1CDK2JAK3
SCHEMBL27825349 0.81 MAP3K5 (0.47) JAK3EGFRCDK4CCND3CCNT1
SCHEMBL27844373 0.81 SYK (0.45) TBK1JAK3JAK2JAK1TYK2
SCHEMBL27825347 0.80 CDK4 (0.46) CAMK2DTBK1CDK2JAK3EGFR
SCHEMBL28793684 0.80 MAP3K5 (0.47) JAK3EGFRCDK4CCND3CCNT1
SCHEMBL28793682 0.79 CDK4 (0.46) CAMK2DTBK1CDK2JAK3EGFR
SCHEMBL27844447 0.78 AURKA (0.47) CAMK2DTBK1CDK2JAK3EGFR
SCHEMBL27844363 0.76 TBK1 (0.55) CSF1RTBK1CDK2JAK3CCNA2
SCHEMBL1285307 0.76 — —
SCHEMBL28793685 0.75 AURKA (0.39) CAMK2DCSF1RTBK1CDK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN claimed
CN-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN disclosed
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